CID 3007906

1-((2r,4s,5r)-4-hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-5-iodo-3,4-dihydro-1h-pyrimidin-2-one

Structural Information

Molecular Formula
C9H13IN2O4
SMILES
C1[C@@H]([C@H](O[C@H]1N2C=C(CNC2=O)I)CO)O
InChI
InChI=1S/C9H13IN2O4/c10-5-2-11-9(15)12(3-5)8-1-6(14)7(4-13)16-8/h3,6-8,13-14H,1-2,4H2,(H,11,15)/t6-,7+,8+/m0/s1
InChIKey
PNMAGLWDPLYVCT-XLPZGREQSA-N
Compound name
3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-iodo-1,6-dihydropyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

339.992 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.99928 159.7
[M+Na]+ 362.98122 159.3
[M-H]- 338.98472 153.4
[M+NH4]+ 358.02582 168.7
[M+K]+ 378.95516 162.7
[M+H-H2O]+ 322.98926 149.3
[M+HCOO]- 384.99020 168.6
[M+CH3COO]- 399.00585 190.2
[M+Na-2H]- 360.96667 148.2
[M]+ 339.99145 152.5
[M]- 339.99255 152.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.